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cond-mat.mtrl-sci2017
Out-of-plane Enhanced Magnetic Anisotropy Energy in NiBz molecule
Tomás Alonso-Lanza, Jhon W. González, Faustino Aguilera-Granja +1
Organometallic complexes formed by transition metals clusters and benzene molecules have already been synthesized, and in selected cases display magnetic properties controlled by e…
cond-mat.mtrl-sci2017
Ultrashort Mn-Mn Bonds in Organometallic Complexes
Tomás Alonso-Lanza, Jhon W. González, Faustino Aguilera- Granja +1
Manganese metallocenes larger than the experimentally produced sandwiched MnBz compound are studied using several density functional theory methods. First, we show that the low…